4-chloro-N-[5-chloro-2-(3-chlorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

C19H10Cl3F3N2O3S — CID 11577085

IUPAC4-chloro-N-[5-chloro-2-(3-chlorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=C(c1cccc(Cl)c1)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H10Cl3F3N2O3S/c20-11-3-1-2-10(6-11)18(28)17-16(7-12(21)9-26-17)27-31(29,30)13-4-5-15(22)14(8-13)19(23,24)25/h1-9,27H
InChIKeyUAOMNTYOVDFOLL-UHFFFAOYSA-N
MW509.72 g/mol
LogP6.09
Rot. Bonds5

About 4-chloro-N-[5-chloro-2-(3-chlorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-[5-chloro-2-(3-chlorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 11577085) has the molecular formula C19H10Cl3F3N2O3S and a molecular weight of 509.72 g/mol. Its IUPAC name is 4-chloro-N-[5-chloro-2-(3-chlorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[5-chloro-2-(3-chlorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID11577085
Molecular FormulaC19H10Cl3F3N2O3S
Molecular Weight509.72 g/mol
Exact Mass507.94
IUPAC Name4-chloro-N-[5-chloro-2-(3-chlorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=C(c1cccc(Cl)c1)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H10Cl3F3N2O3S/c20-11-3-1-2-10(6-11)18(28)17-16(7-12(21)9-26-17)27-31(29,30)13-4-5-15(22)14(8-13)19(23,24)25/h1-9,27H
InChIKeyUAOMNTYOVDFOLL-UHFFFAOYSA-N
XLogP6.09
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.72
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-chloro-2-(3-chlorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[5-chloro-2-(3-chlorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (CID 11577085) is 4-chloro-N-[5-chloro-2-(3-chlorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[5-chloro-2-(3-chlorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[5-chloro-2-(3-chlorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is O=C(c1cccc(Cl)c1)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-[5-chloro-2-(3-chlorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is UAOMNTYOVDFOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl3F3N2O3S/c20-11-3-1-2-10(6-11)18(28)17-16(7-12(21)9-26-17)27-31(29,30)13-4-5-15(22)14(8-13)19(23,24)25/h1-9,27H.
What are the key properties of 4-chloro-N-[5-chloro-2-(3-chlorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-[5-chloro-2-(3-chlorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 509.72 g/mol, XLogP of 6.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-chloro-2-(3-chlorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 11577085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).